Crystallography Open Database

Information card for entry 1561602

Preview

Coordinates	1561602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 As2 Mn3 N4 S6
Calculated formula	C6 H20 As2 Mn3 N4 S6
SMILES	[Mn]12([S]3[Mn]456([S]7[As]3[S]1[Mn]137(S[As]([S]61)S5)[NH2]C[C@H]([NH2]3)C)[NH2]C[C@@H]([NH2]4)C)[S]1[Mn]345([S]6[As]1[S]2[Mn]126([S]6[Mn][S]4[As]6[S]51)[NH2]C[C@H]([NH2]2)C)[NH2]C[C@@H]([NH2]3)C
Title of publication	Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties
Authors of publication	Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	235
Pages of publication	183 - 192
a	20.98 ± 0.006 Å
b	8.775 ± 0.002 Å
c	12.523 ± 0.003 Å
α	90°
β	121.053 ± 0.014°
γ	90°
Cell volume	1975.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264010 (current)	2021-04-09	cif/ Adding structures of 1561602, 1561603, 1561604 via cif-deposit CGI script.	1561602.cif